N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H27N5O5 — CID 156699722

IUPACN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnn2c1
InChIInChI=1S/C24H27N5O5/c1-14(30)13-33-16-4-5-20-19(11-27-29(20)12-16)22(32)28-15-7-24(8-15)9-17(10-24)34-23-18(21(25)31)3-2-6-26-23/h2-6,11-12,14-15,17,30H,7-10,13H2,1H3,(H2,25,31)(H,28,32)/t14-,15?,17?,24?/m1/s1
InChIKeyAYTZVRJVNHYUGE-FBFUYHBKSA-N
MW465.51 g/mol
LogP1.71
Rot. Bonds8

About N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 156699722) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID156699722
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC NameN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@@H](O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnn2c1
InChIInChI=1S/C24H27N5O5/c1-14(30)13-33-16-4-5-20-19(11-27-29(20)12-16)22(32)28-15-7-24(8-15)9-17(10-24)34-23-18(21(25)31)3-2-6-26-23/h2-6,11-12,14-15,17,30H,7-10,13H2,1H3,(H2,25,31)(H,28,32)/t14-,15?,17?,24?/m1/s1
InChIKeyAYTZVRJVNHYUGE-FBFUYHBKSA-N
XLogP1.71
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 156699722) is N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@@H](O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnn2c1.
What is the InChIKey of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AYTZVRJVNHYUGE-FBFUYHBKSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-14(30)13-33-16-4-5-20-19(11-27-29(20)12-16)22(32)28-15-7-24(8-15)9-17(10-24)34-23-18(21(25)31)3-2-6-26-23/h2-6,11-12,14-15,17,30H,7-10,13H2,1H3,(H2,25,31)(H,28,32)/t14-,15?,17?,24?/m1/s1.
What are the key properties of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 156699722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).